2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole

C11H12ClNO — CID 12034714

IUPAC2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO/c1-2-10-7-14-11(13-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyIEMFMONVMSCOFG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.90
Rot. Bonds2

About 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole

2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 12034714) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID12034714
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO/c1-2-10-7-14-11(13-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyIEMFMONVMSCOFG-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5(4H)-one
CID 901743
Mls002667700
CID 244135
2-[(4-Chlorophenyl)methoxy]ethan-1-amine
CID 5151145
4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868
Oxazole, 2-(4-chlorophenyl)-4,5-dihydro-
CID 244027
2-(4-Chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 639989
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
(4S)-4-benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 17756825

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole (CID 12034714) is 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole is CCC1COC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IEMFMONVMSCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-10-7-14-11(13-10)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole?
2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 209.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12034714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).